(2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile

C18H8ClF6N3 — CID 40783705

IUPAC(2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile
SMILESN#C[C@H](c1ccc(Cl)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C18H8ClF6N3/c19-10-3-1-9(2-4-10)12(8-26)14-6-5-11-13(17(20,21)22)7-15(18(23,24)25)28-16(11)27-14/h1-7,12H/t12-/m1/s1
InChIKeyMEUVBYOWCXHDLY-GFCCVEGCSA-N
MW415.72 g/mol
LogP5.98
Rot. Bonds2

About (2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile

(2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile (PubChem CID 40783705) has the molecular formula C18H8ClF6N3 and a molecular weight of 415.72 g/mol. Its IUPAC name is (2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile
PubChem CID40783705
Molecular FormulaC18H8ClF6N3
Molecular Weight415.72 g/mol
Exact Mass415.03
IUPAC Name(2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile
SMILESN#C[C@H](c1ccc(Cl)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C18H8ClF6N3/c19-10-3-1-9(2-4-10)12(8-26)14-6-5-11-13(17(20,21)22)7-15(18(23,24)25)28-16(11)27-14/h1-7,12H/t12-/m1/s1
InChIKeyMEUVBYOWCXHDLY-GFCCVEGCSA-N
XLogP5.98
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.72
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile?
The IUPAC name of (2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile (CID 40783705) is (2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile.
What is the SMILES notation for (2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile?
The canonical SMILES for (2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile is N#C[C@H](c1ccc(Cl)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1.
What is the InChIKey of (2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile?
The InChIKey is MEUVBYOWCXHDLY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H8ClF6N3/c19-10-3-1-9(2-4-10)12(8-26)14-6-5-11-13(17(20,21)22)7-15(18(23,24)25)28-16(11)27-14/h1-7,12H/t12-/m1/s1.
What are the key properties of (2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile?
(2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile has a molecular weight of 415.72 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile is sourced from PubChem (CID 40783705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).